SCHEMBL1793752

SCHEMBL1793752

Cn1c2ccc(OCCN3CCCCC3)cc2c2cc(OCCN3CCCCC3)ccc21

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.57
PSMB1 P20618 5/20 0.56
PSMB5 P28074 5/20 0.56
PSMB2 P49721 3/20 0.56
SIGMAR1 Q99720 2/20 0.55
HRH3 Q9Y5N1 4/20 0.55
TSHR P16473 1/20 0.54
LTA4H P09960 1/20 0.54
ALDH1A1 P00352 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
BACE1 P56817 1/20 0.54

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1799244 0.98 KDM4E (0.59) KDM4EPSMB1PSMB5PSMB2SIGMAR1
SCHEMBL1796063 0.95 KDM4E (0.55) KDM4EPSMB1PSMB5PSMB2SIGMAR1
SCHEMBL1794161 0.94 KDM4E (0.52) KDM4EPSMB1PSMB5PSMB2SIGMAR1
SCHEMBL1795770 0.93 KDM4E (0.54) KDM4EPSMB1PSMB5PSMB2SIGMAR1
SCHEMBL1796754 0.93 HRH3 (0.61) KDM4ESIGMAR1HRH3
SCHEMBL1793194 0.92 SIGMAR1 (0.57) PSMB1PSMB5PSMB2SIGMAR1HRH3
SCHEMBL1793452 0.91 HRH3 (0.58) KDM4ESIGMAR1HRH3
SCHEMBL1798398 0.90 KDM4E (0.50) KDM4EPSMB1PSMB5PSMB2SIGMAR1
SCHEMBL1795765 0.90 SIGMAR1 (0.56) KDM4ESIGMAR1HRH3TSHRLTA4H
SCHEMBL1796308 0.88 HRH3 (0.55) KDM4ESIGMAR1HRH3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2258682-A2 Amino-substituted tricyclic derivatives and methods of use Abbott Laboratories (US) 2010-12-08 EP claimed
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use ABBOTT LABORATORIES (US) 2008-07-03 US claimed
US-20050234031-A1 Amino-substituted tricyclic derivatives and methods of use ABBVIE INC. 2005-10-20 US claimed
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use SCHRIMPF MICHAEL R (US) 2005-08-04 US claimed
US-7951791-B2 e.g. 2,7-bis-[(3R)-1-azabicyclo[2.2.2]octan-3-yloxy]-fluoren-9-one; alpha 7 Nicotinic acetylcholine receptors ligands; cognitive disorder, neurodegeneration, and neurodevelopmental disorders ABBOTT LABORATORIES (US) 2011-05-31 US disclosed
EP-2258682-A2 Amino-substituted tricyclic derivatives and methods of use Abbott Laboratories (US) 2010-12-08 EP disclosed
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use ABBOTT LABORATORIES (US) 2008-07-03 US disclosed
US-7365193-B2 Amino-substituted tricyclic derivatives and methods of use ABBOTT LABORATORIES (US) 2008-04-29 US disclosed
US-20050234031-A1 Amino-substituted tricyclic derivatives and methods of use ABBVIE INC. 2005-10-20 US disclosed
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use SCHRIMPF MICHAEL R (US) 2005-08-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050234031-A1 Amino-substituted tricyclic derivatives and methods of use CHRNA1, CHRM1, GALR1 KDM4E 2818/4885PSMB1 1993/4885PSMB5 1484/4885
US-20080161281-A1 Amino-Substituted Tricyclic Derivatives and Methods of Use CHRNA1, CHRM1, CHRNB1 KDM4E 2402/4885PSMB1 1518/4885PSMB5 1049/4885
US-20050171079-A1 Amino-substituted tricyclic derivatives and methods of use CHRM1, CHRM3, CHRNA1 KDM4E 2270/4885PSMB1 1677/4885PSMB5 986/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.